Found 1881 results, showing the newest relevant preprints. Sort by relevancy only.Update me on new preprints

A Molecular Mechanism for Azeotrope Formation in Ethanol/benzene Binary Mixtures Through Gibbs Ensemble Monte Carlo Simulation

Gibbs ensemble Monte Carlo (GEMC) simulation is performed to predict the VLE phase diagram, including an azeotrope point. Expand abstract.
18289 days ago
10/10 relevant
chemRxiv

A Monte Carlo-Based Outlier Diagnosis Method for Sensitivity Analysis

From the Monte Carlo evaluation, we compute the probabilities of correct identification, missed detection, wrong exclusion, overidentifications and statistical overlap associated with IDS in the presence of a single outlier. Expand abstract.
2 days ago
10/10 relevant
Preprints.org

A Monte Carlo EM Algorithm for the Parameter Estimation of Aggregated Hawkes Processes

We develop a novel optimization approach to parameter estimation of aggregated Hawkes processes using a Monte Carlo Expectation-Maximization (MC-EM) algorithm. Expand abstract.
7 days ago
10/10 relevant
arXiv

Markov Chain Monte Carlo Methods, a survey with some frequent misunderstandings

In this chapter, we review some of the most standard MCMC tools used in Bayesian computation, along with vignettes on standard misunderstandings of these approaches taken from Q \&~A's on the forum Cross-validated answered by the first author. Expand abstract.
10 days ago
7/10 relevant
arXiv

Unit Testing for MCMC and other Monte Carlo Methods

For general Monte Carlo methods, this allows testing, for example, if a sampler has a specified distribution or if a sampler produces samples with the desired mean. Expand abstract.
10 days ago
10/10 relevant
arXiv

A piecewise deterministic Monte Carlo method for diffusion bridges

Contrary to some other Markov Chain Monte Carlo methods, our approach works well in case of strong nonlinearity in the drift and multimodal distributions of sample paths. Expand abstract.
11 days ago
10/10 relevant
arXiv

Newtonian Monte Carlo: single-site MCMC meets second-order gradient methods

Our work, which we call Newtonian Monte Carlo (NMC), is a method to improve MCMC convergence by analyzing the first and second order gradients of the target density to determine a suitable proposal density at each point. Expand abstract.
12 days ago
10/10 relevant
arXiv

Quantum Monte Carlo simulation of intervortex potential in superconductors

We formulate the interaction potential in a constrained path integral and calculate it by the quantum Monte Carlo simulation. Expand abstract.
12 days ago
10/10 relevant
arXiv

Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C$_{36}$ Fullerene and an Iron Porphyrin Model Complex

We present three distinct examples where phaseless auxiliary-field Quantum Monte Carlo (ph-AFQMC) can be reliably performed with a single-determinant trial wavefunction with essential symmetry breaking. Expand abstract.
13 days ago
10/10 relevant
arXiv

A Bayesian Monte-Carlo Uncertainty Model for Assessment of Shear Stress Entropy

The Bayesian Monte-Carlo (BMC) uncertainty method is simplified considering a 95% Confidence Bound (CB). Expand abstract.
17 days ago
10/10 relevant
Preprints.org